Geometry & MOs

Info

ID:	184924
PubChem CID:	77229810
Reduced:	IOF2N3H14C16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	437.186318
ΔH_f, kcal/mol:	-43.79
Dipole, Da:	8.62
IP(EA), eV:	-9.05(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[4-(3-fluoropyridin-4-yl)-1-methyl-6-oxopyrimidin-2-yl]-3-methylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1C(C(NN1)C2=CC=C(C=C2)I)NC(=O)C3=C(C=CC=C3F)F

DOS

IR

Vibrations